Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 385.4 BDBM50124573

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50124573 (CHEMBL1472460) Show SMILES NCC(=O)Nc1cccc(c1)-c1nn2c(nc(cc2=O)N2CCNCC2)s1 Show InChI InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregat...				J Med Chem 60: 3241-3251 (2017) Article DOI: 10.1021/acs.jmedchem.6b01711 BindingDB Entry DOI: 10.7270/Q29W0HZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50124573 (CHEMBL1472460) Show SMILES NCC(=O)Nc1cccc(c1)-c1nn2c(nc(cc2=O)N2CCNCC2)s1 Show InChI InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggrega...				Bioorg Med Chem Lett 27: 5355-5372 (2017) Article DOI: 10.1016/j.bmcl.2017.11.002 BindingDB Entry DOI: 10.7270/Q2W37ZWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50124573 (CHEMBL1472460) Show SMILES NCC(=O)Nc1cccc(c1)-c1nn2c(nc(cc2=O)N2CCNCC2)s1 Show InChI InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Antagonist activity against integrin alpha2bbeta3 in human platelet rich plasma				J Med Chem 58: 7681-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b00865 BindingDB Entry DOI: 10.7270/Q2QN68MB
					More data for this Ligand-Target Pair				3D Structure (crystal)